N,N-bis[3-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine

C39H23F6N — CID 171749981

IUPACN,N-bis[3-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
SMILESFC(F)(F)c1cccc(N(c2cccc(C(F)(F)F)c2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C39H23F6N/c40-38(41,42)24-10-7-12-26(22-24)46(27-13-8-11-25(23-27)39(43,44)45)35-21-9-20-34-36(35)30-16-3-6-19-33(30)37(34)31-17-4-1-14-28(31)29-15-2-5-18-32(29)37/h1-23H
InChIKeyRVVRAYOJFWJXLS-UHFFFAOYSA-N
MW619.61 g/mol
LogP11.54
Rot. Bonds3

About N,N-bis[3-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine

N,N-bis[3-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine (PubChem CID 171749981) has the molecular formula C39H23F6N and a molecular weight of 619.61 g/mol. Its IUPAC name is N,N-bis[3-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN,N-bis[3-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
PubChem CID171749981
Molecular FormulaC39H23F6N
Molecular Weight619.61 g/mol
Exact Mass619.17
IUPAC NameN,N-bis[3-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
SMILESFC(F)(F)c1cccc(N(c2cccc(C(F)(F)F)c2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C39H23F6N/c40-38(41,42)24-10-7-12-26(22-24)46(27-13-8-11-25(23-27)39(43,44)45)35-21-9-20-34-36(35)30-16-3-6-19-33(30)37(34)31-17-4-1-14-28(31)29-15-2-5-18-32(29)37/h1-23H
InChIKeyRVVRAYOJFWJXLS-UHFFFAOYSA-N
XLogP11.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.61
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 171749815
1-N,1-N,3-N-triphenyl-3-N-[3-[N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzene-1,3-diamine
CID 146601554
N,N-bis(4-tert-butylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-amine
CID 121391781
N-[3-(2,6-difluorophenyl)phenyl]-N-(4-fluorophenyl)-9,9'-spirobi[fluorene]-4-amine
CID 171749895
2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine
CID 137448787
N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine
CID 121423447
N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138477289
2-N'-phenyl-4-N-(3-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915431
2-N'-phenyl-2-N'-(3-phenylphenyl)-4-N,4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915444
CID 118153721
CID 118153721
N-[4-[4-(trifluoromethoxy)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130309128
N,N-di(spiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476433

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N,N-bis[3-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine (CID 171749981) is N,N-bis[3-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N,N-bis[3-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N,N-bis[3-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine is FC(F)(F)c1cccc(N(c2cccc(C(F)(F)F)c2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c1.
What is the InChIKey of N,N-bis[3-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is RVVRAYOJFWJXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23F6N/c40-38(41,42)24-10-7-12-26(22-24)46(27-13-8-11-25(23-27)39(43,44)45)35-21-9-20-34-36(35)30-16-3-6-19-33(30)37(34)31-17-4-1-14-28(31)29-15-2-5-18-32(29)37/h1-23H.
What are the key properties of N,N-bis[3-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
N,N-bis[3-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 619.61 g/mol, XLogP of 11.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 171749981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).